KEGG   DRUG: Metoprolol fumarateHelp
Entry
D05011                      Drug                                   

Name
Metoprolol fumarate (USP);
Lopressor (TN)
Formula
(C15H25NO3)2. C4H4O4
Exact mass
650.3778
Mol weight
650.8
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: C07AB02
Chemical structure group: DG00313
Product (DG00313): D00601<JP/US> D00635<US>
Efficacy
Antihypertensive, beta1-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Drug interaction
Structure map
map07037  Antiarrhythmic drugs
map07048  Antimigraines
map07214  beta-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AB Beta blocking agents, selective
     C07AB02 Metoprolol
      D05011  Metoprolol fumarate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRB1
     D05011  Metoprolol fumarate (USP)
BRITE hierarchy
Other DBs
CAS: 119637-66-0
PubChem: 47206738
ChEMBL: CHEMBL3989566
DrugBank: DB00264
LigandBox: D05011
KCF data Show

ATOM        46
            1   C6a C    31.1975  -34.7892
            2   C2b C    32.4086  -35.4912
            3   O6a O    29.9865  -35.4912
            4   O6a O    31.1975  -33.3911
            5   C2b C    33.6253  -34.7892
            6   C6a C    34.8363  -35.4912
            7   O6a O    36.0473  -34.7892
            8   O6a O    34.8363  -36.8893
            9   C1c C    24.3600  -31.9900
            10  C1a C    25.5724  -32.6900
            11  N1b N    23.1476  -32.6900
            12  C1a C    24.3600  -30.5900
            13  C1b C    21.9521  -31.9996
            14  C1c C    20.7647  -32.6851
            15  C1b C    19.5735  -31.9971
            16  O1a O    20.7645  -34.0898
            17  O2a O    18.3840  -32.6838
            18  C8y C    18.3840  -34.0838
            19  C8x C    17.1886  -34.7742
            20  C8x C    17.1889  -36.1742
            21  C8y C    18.4014  -36.8740
            22  C8x C    19.5968  -36.1836
            23  C8x C    19.5966  -34.7836
            24  C1b C    18.4016  -38.2900
            25  C1b C    17.1955  -38.9865
            26  O2a O    16.0030  -38.2980
            27  C1a C    14.8144  -38.9844
            28  C1c C    24.3600  -31.9900
            29  C1a C    25.5724  -32.6900
            30  N1b N    23.1476  -32.6900
            31  C1b C    21.9521  -31.9996
            32  C1c C    20.7647  -32.6851
            33  C1b C    19.5735  -31.9971
            34  O2a O    18.3840  -32.6838
            35  C8y C    18.3840  -34.0838
            36  C8x C    17.1886  -34.7742
            37  C8x C    17.1889  -36.1742
            38  C8y C    18.4014  -36.8740
            39  C8x C    19.5968  -36.1836
            40  C8x C    19.5966  -34.7836
            41  C1b C    18.4016  -38.2900
            42  C1b C    17.1955  -38.9865
            43  O2a O    16.0030  -38.2980
            44  C1a C    14.8144  -38.9844
            45  O1a O    20.7645  -34.0898
            46  C1a C    24.3600  -30.5900
BOND        45
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     9  10 1
            9     9  11 1
            10    9  12 1
            11   11  13 1
            12   13  14 1
            13   14  15 1
            14   14  16 1
            15   15  17 1
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  22 1
            21   22  23 2
            22   18  23 1
            23   21  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   28  29 1
            28   28  30 1
            29   28  46 1
            30   30  31 1
            31   31  32 1
            32   32  33 1
            33   32  45 1
            34   33  34 1
            35   34  35 1
            36   35  36 2
            37   36  37 1
            38   37  38 2
            39   38  39 1
            40   39  40 2
            41   35  40 1
            42   38  41 1
            43   41  42 1
            44   42  43 1
            45   43  44 1
BRACKET     1    12.0400  -39.8300   12.0400  -29.5400
            1    27.4400  -29.5400   27.4400  -39.8300
            1  2
 ORIGINAL  1    9  10  11  13  14  15  17  18  19  20  21  22  23  24  25  26
            1   27  16  12
 REPEAT    1   28  29  30  31  32  33  34  35  36  37  38  39  40  41  42  43
            1   44  45  46

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